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Benzamide, N-[2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]-
SpectraBase Compound ID FYxdQ7E1Wmc
InChI InChI=1S/C21H14N4O3S/c26-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21-24-23-20(29-21)15-10-12-16(13-11-15)25(27)28/h1-13H,(H,22,26)
InChIKey URTQKQFNACGOKG-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C21H14N4O3S
Exact Mass 402.078661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXjGLhVDQ3m
Name Benzamide, N-[2-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 402.078661498 u
Formula C21H14N4O3S
InChI InChI=1S/C21H14N4O3S/c26-19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)21-24-23-20(29-21)15-10-12-16(13-11-15)25(27)28/h1-13H,(H,22,26)
InChIKey URTQKQFNACGOKG-UHFFFAOYSA-N
Molecular Weight 402.428 g/mol
SMILES C=1(SC(C2=CC=C(N(=O)=O)C=C2)=NN1)C=1C(NC(=O)C=2C=CC=CC2)=CC=CC1